Molecular insights into the effect of graphene packing on mechanical behaviors of graphene reinforced cis-1,4-polybutadiene polymer nanocomposites

2017 ◽  
Vol 19 (33) ◽  
pp. 22417-22433 ◽  
Author(s):  
Yishuo Guo ◽  
Jun Liu ◽  
Youping Wu ◽  
Liqun Zhang ◽  
Zhao Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Uniaxial Tension ◽  
Polymer Nanocomposites ◽  
Chain Structure ◽  
Dynamics Simulation ◽  
Mechanical Behaviors ◽  
Structure Dynamics

We adopt molecular dynamics simulation to study the graphene packing patterns on chain structure, dynamics, uniaxial tension and visco-elastic behaviors.

Mechanical behaviors of AlCrFeCuNi high-entropy alloys under uniaxial tension via molecular dynamics simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (80) ◽  
pp. 76409-76419 ◽  
Author(s):  
Jia Li ◽  
QiHong Fang ◽  
Bin Liu ◽  
YouWen Liu ◽  
Yong Liu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Uniaxial Tension ◽  
Deformation Mechanism ◽  
Dynamics Simulation ◽  
High Entropy Alloy ◽  
High Entropy Alloys ◽  
Mechanical Behaviors ◽  
High Entropy

Although a high-entropy alloy has exhibited promising mechanical properties, little attention has been given to the dynamics deformation mechanism during uniaxial tension, which limits its widespread and practical utility.

Molecular dynamics simulation of zeolite NaY: a study of structure, dynamics, and thermalization of sorbates

1992 ◽  
Vol 96 (18) ◽  
pp. 7404-7410 ◽  
Author(s):  
Gerhard Schrimpf ◽  
Michael Schlenkrich ◽  
Juergen Brickmann ◽  
Philippe Bopp
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Zeolite Nay ◽  
Structure Dynamics
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